N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine

C19H18FN3O2S — CID 46283400

IUPACN-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
SMILESO=S(=O)(c1ccc2nc(Nc3ccccc3F)ccc2c1)N1CCCC1
InChIInChI=1S/C19H18FN3O2S/c20-16-5-1-2-6-18(16)22-19-10-7-14-13-15(8-9-17(14)21-19)26(24,25)23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12H2,(H,21,22)
InChIKeyBPSGOMOBTDKFMV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.90
Rot. Bonds4

About N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine

N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine (PubChem CID 46283400) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
PubChem CID46283400
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
SMILESO=S(=O)(c1ccc2nc(Nc3ccccc3F)ccc2c1)N1CCCC1
InChIInChI=1S/C19H18FN3O2S/c20-16-5-1-2-6-18(16)22-19-10-7-14-13-15(8-9-17(14)21-19)26(24,25)23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12H2,(H,21,22)
InChIKeyBPSGOMOBTDKFMV-UHFFFAOYSA-N
XLogP3.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 50806744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283426
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759706
N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
CID 62143884
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
2-(2-fluoroanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824473
4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
CID 50806743
(3S)-N-(2-methylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888367
N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine
CID 53038205

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine (CID 46283400) is N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine is O=S(=O)(c1ccc2nc(Nc3ccccc3F)ccc2c1)N1CCCC1.
What is the InChIKey of N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
The InChIKey is BPSGOMOBTDKFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-16-5-1-2-6-18(16)22-19-10-7-14-13-15(8-9-17(14)21-19)26(24,25)23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12H2,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine?
N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine has a molecular weight of 371.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine is sourced from PubChem (CID 46283400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).